CID 122516

2-hydroxyethyl lactate

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

CC(C(=O)OCCO)O

InChI

InChI=1S/C5H10O4/c1-4(7)5(8)9-3-2-6/h4,6-7H,2-3H2,1H3

InChIKey

YVOWOLLEVWDWOH-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 134.0579 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	135.06518	126.5
[M+Na]+	157.04712	134.7
[M+NH4]+	152.09172	132.5
[M+K]+	173.02106	132.2
[M-H]-	133.05062	123.3
[M+Na-2H]-	155.03257	128.0
[M]+	134.05735	126.3
[M]-	134.05845	126.3

Literature stripe

literature stripe

Patent stripe

patents stripe